2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide

C23H28N2O3 — CID 51157915

IUPAC2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(9-10-19-7-5-4-6-8-19)24-23(27)18(2)25-22(26)16-13-20-11-14-21(28-3)15-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,24,27)(H,25,26)/b16-13+
InChIKeyIBJOGLAPCSNMSW-DTQAZKPQSA-N
MW380.49 g/mol
LogP3.35
Rot. Bonds9

About 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide

2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide (PubChem CID 51157915) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
PubChem CID51157915
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide
SMILESCOc1ccc(/C=C/C(=O)NC(C)C(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H28N2O3/c1-17(9-10-19-7-5-4-6-8-19)24-23(27)18(2)25-22(26)16-13-20-11-14-21(28-3)15-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,24,27)(H,25,26)/b16-13+
InChIKeyIBJOGLAPCSNMSW-DTQAZKPQSA-N
XLogP3.35
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
N-(4-methoxyphenyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 51161656
N-[(4-methoxyphenyl)methyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 18162307
(E)-3-(4-bromophenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 1001333
3-(3,4-dimethoxyphenyl)-N-(4-phenylbutan-2-yl)prop-2-enamide
CID 3145412
3-(3,4-dimethoxyphenyl)-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 808594
(2S)-2-[(4-methoxyphenyl)methylamino]-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 2444533
2-[(4-methoxyphenyl)methylamino]-N-(4-phenylbutan-2-yl)propanamide
CID 4878013
N-[2-(3-fluorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51214636
N-[2-(3-chlorophenyl)ethyl]-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanamide
CID 51177311
N-(1-hydroxypropan-2-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide
CID 110887309

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide?
The IUPAC name of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide (CID 51157915) is 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide?
The canonical SMILES for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide is COc1ccc(/C=C/C(=O)NC(C)C(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide?
The InChIKey is IBJOGLAPCSNMSW-DTQAZKPQSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-17(9-10-19-7-5-4-6-8-19)24-23(27)18(2)25-22(26)16-13-20-11-14-21(28-3)15-12-20/h4-8,11-18H,9-10H2,1-3H3,(H,24,27)(H,25,26)/b16-13+.
What are the key properties of 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide?
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide has a molecular weight of 380.49 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-phenylbutan-2-yl)propanamide is sourced from PubChem (CID 51157915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).